1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;3-propan-2-ylpyrazolo[1,5-c]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C86H108N22 — CID 158619368

IUPAC1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;3-propan-2-ylpyrazolo[1,5-c]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESCC(C)c1[nH]nc2ccccc12.CC(C)c1cnc2ccccn12.CC(C)c1cnn2c1CCCC2.CC(C)c1cnn2ccccc12.CC(C)c1cnn2cccnc12.CC(C)c1cnn2ccncc12.CC(C)c1cnn2cnccc12.CC(C)c1cnn2ncccc12.CC(C)n1cnc2ccccc21
InChIInChI=1S/C10H12N2.C10H16N2.3C10H12N2.4C9H11N3/c1-8(2)9-7-11-10-5-3-4-6-12(9)10;2*1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)8-5-11-12-4-3-10-6-9(8)12;1-7(2)8-5-11-12-6-10-4-3-9(8)12;1-7(2)8-6-11-12-5-3-4-10-9(8)12;1-7(2)8-6-11-12-9(8)4-3-5-10-12/h3-8H,1-2H3;7-8H,3-6H2,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);4*3-7H,1-2H3
InChIKeyHXUNRUVUGKTAAF-UHFFFAOYSA-N
MW1449.96 g/mol
LogP19.97
Rot. Bonds9

About 1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;3-propan-2-ylpyrazolo[1,5-c]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;3-propan-2-ylpyrazolo[1,5-c]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 158619368) has the molecular formula C86H108N22 and a molecular weight of 1449.96 g/mol. Its IUPAC name is 1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;3-propan-2-ylpyrazolo[1,5-c]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;3-propan-2-ylpyrazolo[1,5-c]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID158619368
Molecular FormulaC86H108N22
Molecular Weight1449.96 g/mol
Exact Mass1448.91
IUPAC Name1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;3-propan-2-ylpyrazolo[1,5-c]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESCC(C)c1[nH]nc2ccccc12.CC(C)c1cnc2ccccn12.CC(C)c1cnn2c1CCCC2.CC(C)c1cnn2ccccc12.CC(C)c1cnn2cccnc12.CC(C)c1cnn2ccncc12.CC(C)c1cnn2cnccc12.CC(C)c1cnn2ncccc12.CC(C)n1cnc2ccccc21
InChIInChI=1S/C10H12N2.C10H16N2.3C10H12N2.4C9H11N3/c1-8(2)9-7-11-10-5-3-4-6-12(9)10;2*1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)8-5-11-12-4-3-10-6-9(8)12;1-7(2)8-5-11-12-6-10-4-3-9(8)12;1-7(2)8-6-11-12-5-3-4-10-9(8)12;1-7(2)8-6-11-12-9(8)4-3-5-10-12/h3-8H,1-2H3;7-8H,3-6H2,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);4*3-7H,1-2H3
InChIKeyHXUNRUVUGKTAAF-UHFFFAOYSA-N
XLogP19.97
TPSA219.68 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds9
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001449.96
LogP ≤ 519.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze 1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;3-propan-2-ylpyrazolo[1,5-c]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine with MolForge

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Related Compounds

1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;1-propan-2-yl-2,3-dihydroindole;4-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;1-propan-2-ylindole;3-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine
CID 162246574
ethane;3-propan-2-ylpyrazolo[1,5-a]pyridine
CID 155742340
bis(3-propan-2-yl-2H-indazole);3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine
CID 158562981
pyrazolo[1,5-a]pyrazin-3-yl(quinolin-5-yl)methanol
CID 103129095
ethane;3-propan-2-yl-2H-indazole
CID 167622577
pyrazolo[1,5-a]pyrazin-3-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 103129014
pyrazolo[1,5-a]pyrazin-3-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 103127666
1-pyrazolo[1,5-a]pyrazin-3-yl-2-pyridin-2-ylethanamine
CID 103127478
naphthalen-1-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanamine
CID 103126924
1-pyrazolo[1,5-b]pyridazin-3-ylethanamine
CID 163321371
3-(1-imidazo[1,2-a]pyridin-3-yl-2-methylpropyl)imidazo[1,2-a]pyridine
CID 11818608
(4-methyl-3-pyridinyl)-pyrazolo[1,5-a]pyridin-3-ylmethanol
CID 103129010

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;3-propan-2-ylpyrazolo[1,5-c]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;3-propan-2-ylpyrazolo[1,5-c]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 158619368) is 1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;3-propan-2-ylpyrazolo[1,5-c]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;3-propan-2-ylpyrazolo[1,5-c]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;3-propan-2-ylpyrazolo[1,5-c]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is CC(C)c1[nH]nc2ccccc12.CC(C)c1cnc2ccccn12.CC(C)c1cnn2c1CCCC2.CC(C)c1cnn2ccccc12.CC(C)c1cnn2cccnc12.CC(C)c1cnn2ccncc12.CC(C)c1cnn2cnccc12.CC(C)c1cnn2ncccc12.CC(C)n1cnc2ccccc21.
What is the InChIKey of 1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;3-propan-2-ylpyrazolo[1,5-c]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The InChIKey is HXUNRUVUGKTAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.C10H16N2.3C10H12N2.4C9H11N3/c1-8(2)9-7-11-10-5-3-4-6-12(9)10;2*1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)8-5-11-12-4-3-10-6-9(8)12;1-7(2)8-5-11-12-6-10-4-3-9(8)12;1-7(2)8-6-11-12-5-3-4-10-9(8)12;1-7(2)8-6-11-12-9(8)4-3-5-10-12/h3-8H,1-2H3;7-8H,3-6H2,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);4*3-7H,1-2H3.
What are the key properties of 1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;3-propan-2-ylpyrazolo[1,5-c]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;3-propan-2-ylpyrazolo[1,5-c]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 1449.96 g/mol, XLogP of 19.97, 9 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;3-propan-2-ylpyrazolo[1,5-c]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 158619368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).